element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:13      -44.114711         1.302532
BFGS:    1 15:02:13      -44.158789         1.067096
BFGS:    2 15:02:13      -44.234976         0.463596
BFGS:    3 15:02:13      -44.253698         0.027810
BFGS:    4 15:02:13      -44.253768         0.002020
BFGS:    5 15:02:13      -44.253769         0.001079
BFGS:    6 15:02:13      -44.253769         0.000162
BFGS:    7 15:02:13      -44.253769         0.000032
BFGS:    8 15:02:13      -44.253769         0.000001
BFGS:    9 15:02:13      -44.253769         0.000000
BFGS:   10 15:02:13      -44.253769         0.000000
Minimization converged after 10 steps.
Maximum force component: 6.123985198388729e-10 eV/Angstrom
Maximum stress component: 4.9164371403797054e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 1.56212721e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.512648618497401, -1.0000568339840384e-17, -1.5764437902469712e-23], [-1.2563243092487004, 2.1760175344026225, -1.3914927994665459e-18], [-7.965369654768063e-23, 4.440889798771557e-16, 12.451199845374557]])
forces =  [[-3.91767914e-33  2.18420263e-26  6.12398520e-10]
 [ 2.45648694e-32 -2.18420382e-26 -6.12398520e-10]
 [ 3.73767014e-32  2.18419547e-26  6.12398520e-10]
 [ 3.91767914e-33 -2.18420263e-26 -6.12398520e-10]
 [ 5.11414949e-32  2.18419309e-26  6.12398520e-10]
 [ 3.91767914e-33 -2.18420263e-26 -6.12398520e-10]]
stress =  [-4.91643714e-11 -4.91643714e-11  1.04970804e-21  1.75351095e-27
 -5.91731047e-33  6.03489345e-28]
energy per atom =  -7.375628139804143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0